Found 90 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175961
(8-((trans, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-p...)Show SMILES O[C@]1(CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)/t22-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175903
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175940
(8-((cis, rac)-2-hydroxy-2-o-tolyl-cyclohexyl)-1-ph...)Show SMILES Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O2/c1-20-9-5-6-12-22(20)26(31)14-8-7-13-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-10-3-2-4-11-21/h2-6,9-12,23,31H,7-8,13-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175920
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175920
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175947
(8-((cis, rac)-2-hydroxy-2-pyridin-4-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccncc1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)20-6-2-1-3-7-20)12-16-27(17-13-23)21-8-4-5-11-24(21,30)19-9-14-25-15-10-19/h1-3,6-7,9-10,14-15,21,30H,4-5,8,11-13,16-18H2,(H,26,29)/t21-,24-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175958
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)/t22-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175956
(8-[(cis, rac)-2-(4-fluoro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H30FN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)/t22-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175940
(8-((cis, rac)-2-hydroxy-2-o-tolyl-cyclohexyl)-1-ph...)Show SMILES Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O2/c1-20-9-5-6-12-22(20)26(31)14-8-7-13-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-10-3-2-4-11-21/h2-6,9-12,23,31H,7-8,13-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175951
(8-[(cis, rac)-2-(3-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C25H30ClN3O2/c26-20-8-6-7-19(17-20)25(31)12-5-4-11-22(25)28-15-13-24(14-16-28)23(30)27-18-29(24)21-9-2-1-3-10-21/h1-3,6-10,17,22,31H,4-5,11-16,18H2,(H,27,30)/t22-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175949
(8-((cis, rac)-2-hydroxy-2-pyridin-2-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)19-8-2-1-3-9-19)13-16-27(17-14-23)21-11-4-6-12-24(21,30)20-10-5-7-15-25-20/h1-3,5,7-10,15,21,30H,4,6,11-14,16-18H2,(H,26,29)/t21-,24-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175961
(8-((trans, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-p...)Show SMILES O[C@]1(CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)/t22-,25+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175941
(8-((cis, rac)-2-hydroxy-2-pyridin-3-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)20-8-2-1-3-9-20)12-15-27(16-13-23)21-10-4-5-11-24(21,30)19-7-6-14-25-17-19/h1-3,6-9,14,17,21,30H,4-5,10-13,15-16,18H2,(H,26,29)/t21-,24-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175959
(8-[(cis, rac)-2-hydroxy-2-(3-methoxy-phenyl)-cyclo...)Show SMILES COc1cccc(c1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O3/c1-32-22-11-7-8-20(18-22)26(31)13-6-5-12-23(26)28-16-14-25(15-17-28)24(30)27-19-29(25)21-9-3-2-4-10-21/h2-4,7-11,18,23,31H,5-6,12-17,19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175962
(1-(4-chloro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-10-21(11-7-19)30-17-28-23(31)24(30)13-15-29(16-14-24)22-3-1-2-12-25(22,32)18-4-8-20(27)9-5-18/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175945
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175943
(8-((cis, rac)-3-hydroxy-3-phenyl-tetrahydro-pyran-...)Show SMILES O[C@]1(COCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H29N3O3/c28-22-23(27(18-25-22)20-9-5-2-6-10-20)12-14-26(15-13-23)21-11-16-30-17-24(21,29)19-7-3-1-4-8-19/h1-10,21,29H,11-18H2,(H,25,28)/t21-,24-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175952
(8-[(cis, rac)-2-hydroxy-2-(4-methoxy-phenyl)-cyclo...)Show SMILES COc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O3/c1-32-22-12-10-20(11-13-22)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-7-3-2-4-8-21/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175955
(8-((cis, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-phe...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)/t22-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175944
(8-((cis, rac)-2-hydroxy-2-p-tolyl-cyclohexyl)-1-ph...)Show SMILES Cc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O2/c1-20-10-12-21(13-11-20)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)22-7-3-2-4-8-22/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175958
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)/t22-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175946
(8-[(cis, rac)-2-(3,4-dichloro-phenyl)-2-hydroxy-cy...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H29Cl2N3O2/c26-20-10-9-18(16-21(20)27)25(32)11-5-4-8-22(25)29-14-12-24(13-15-29)23(31)28-17-30(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16,22,32H,4-5,8,11-15,17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175951
(8-[(cis, rac)-2-(3-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C25H30ClN3O2/c26-20-8-6-7-19(17-20)25(31)12-5-4-11-22(25)28-15-13-24(14-16-28)23(30)27-18-29(24)21-9-2-1-3-10-21/h1-3,6-10,17,22,31H,4-5,11-16,18H2,(H,27,30)/t22-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175953
(1-(4-fluoro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H29F2N3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175956
(8-[(cis, rac)-2-(4-fluoro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H30FN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)/t22-,25-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175960
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H32ClN3O3/c1-33-22-11-9-21(10-12-22)30-18-28-24(31)25(30)14-16-29(17-15-25)23-4-2-3-13-26(23,32)19-5-7-20(27)8-6-19/h5-12,23,32H,2-4,13-18H2,1H3,(H,28,31)/t23-,26-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50175942
(8-((cis, rac)-4-hydroxy-4-phenyl-tetrahydro-pyran-...)Show SMILES O[C@]1(CCOC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H29N3O3/c28-22-23(27(18-25-22)20-9-5-2-6-10-20)11-14-26(15-12-23)21-17-30-16-13-24(21,29)19-7-3-1-4-8-19/h1-10,21,29H,11-18H2,(H,25,28)/t21-,24-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity at human mu opioid receptor in BHK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175959
(8-[(cis, rac)-2-hydroxy-2-(3-methoxy-phenyl)-cyclo...)Show SMILES COc1cccc(c1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O3/c1-32-22-11-7-8-20(18-22)26(31)13-6-5-12-23(26)28-16-14-25(15-17-28)24(30)27-19-29(25)21-9-3-2-4-10-21/h2-4,7-11,18,23,31H,5-6,12-17,19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175903
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175952
(8-[(cis, rac)-2-hydroxy-2-(4-methoxy-phenyl)-cyclo...)Show SMILES COc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O3/c1-32-22-12-10-20(11-13-22)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-7-3-2-4-8-21/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175943
(8-((cis, rac)-3-hydroxy-3-phenyl-tetrahydro-pyran-...)Show SMILES O[C@]1(COCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H29N3O3/c28-22-23(27(18-25-22)20-9-5-2-6-10-20)12-14-26(15-13-23)21-11-16-30-17-24(21,29)19-7-3-1-4-8-19/h1-10,21,29H,11-18H2,(H,25,28)/t21-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175962
(1-(4-chloro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-10-21(11-7-19)30-17-28-23(31)24(30)13-15-29(16-14-24)22-3-1-2-12-25(22,32)18-4-8-20(27)9-5-18/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175947
(8-((cis, rac)-2-hydroxy-2-pyridin-4-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccncc1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)20-6-2-1-3-7-20)12-16-27(17-13-23)21-8-4-5-11-24(21,30)19-9-14-25-15-10-19/h1-3,6-7,9-10,14-15,21,30H,4-5,8,11-13,16-18H2,(H,26,29)/t21-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175953
(1-(4-fluoro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H29F2N3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175944
(8-((cis, rac)-2-hydroxy-2-p-tolyl-cyclohexyl)-1-ph...)Show SMILES Cc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O2/c1-20-10-12-21(13-11-20)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)22-7-3-2-4-8-22/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175946
(8-[(cis, rac)-2-(3,4-dichloro-phenyl)-2-hydroxy-cy...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H29Cl2N3O2/c26-20-10-9-18(16-21(20)27)25(32)11-5-4-8-22(25)29-14-12-24(13-15-29)23(31)28-17-30(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16,22,32H,4-5,8,11-15,17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175942
(8-((cis, rac)-4-hydroxy-4-phenyl-tetrahydro-pyran-...)Show SMILES O[C@]1(CCOC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H29N3O3/c28-22-23(27(18-25-22)20-9-5-2-6-10-20)11-14-26(15-12-23)21-17-30-16-13-24(21,29)19-7-3-1-4-8-19/h1-10,21,29H,11-18H2,(H,25,28)/t21-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175960
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H32ClN3O3/c1-33-22-11-9-21(10-12-22)30-18-28-24(31)25(30)14-16-29(17-15-25)23-4-2-3-13-26(23,32)19-5-7-20(27)8-6-19/h5-12,23,32H,2-4,13-18H2,1H3,(H,28,31)/t23-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175945
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175941
(8-((cis, rac)-2-hydroxy-2-pyridin-3-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)20-8-2-1-3-9-20)12-15-27(16-13-23)21-10-4-5-11-24(21,30)19-7-6-14-25-17-19/h1-3,6-9,14,17,21,30H,4-5,10-13,15-16,18H2,(H,26,29)/t21-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175949
(8-((cis, rac)-2-hydroxy-2-pyridin-2-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)19-8-2-1-3-9-19)13-16-27(17-14-23)21-11-4-6-12-24(21,30)20-10-5-7-15-25-20/h1-3,5,7-10,15,21,30H,4,6,11-14,16-18H2,(H,26,29)/t21-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50175955
(8-((cis, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-phe...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)/t22-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175959
(8-[(cis, rac)-2-hydroxy-2-(3-methoxy-phenyl)-cyclo...)Show SMILES COc1cccc(c1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O3/c1-32-22-11-7-8-20(18-22)26(31)13-6-5-12-23(26)28-16-14-25(15-17-28)24(30)27-19-29(25)21-9-3-2-4-10-21/h2-4,7-11,18,23,31H,5-6,12-17,19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175920
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175943
(8-((cis, rac)-3-hydroxy-3-phenyl-tetrahydro-pyran-...)Show SMILES O[C@]1(COCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H29N3O3/c28-22-23(27(18-25-22)20-9-5-2-6-10-20)12-14-26(15-13-23)21-11-16-30-17-24(21,29)19-7-3-1-4-8-19/h1-10,21,29H,11-18H2,(H,25,28)/t21-,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175940
(8-((cis, rac)-2-hydroxy-2-o-tolyl-cyclohexyl)-1-ph...)Show SMILES Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O2/c1-20-9-5-6-12-22(20)26(31)14-8-7-13-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-10-3-2-4-11-21/h2-6,9-12,23,31H,7-8,13-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175960
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H32ClN3O3/c1-33-22-11-9-21(10-12-22)30-18-28-24(31)25(30)14-16-29(17-15-25)23-4-2-3-13-26(23,32)19-5-7-20(27)8-6-19/h5-12,23,32H,2-4,13-18H2,1H3,(H,28,31)/t23-,26-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175940
(8-((cis, rac)-2-hydroxy-2-o-tolyl-cyclohexyl)-1-ph...)Show SMILES Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O2/c1-20-9-5-6-12-22(20)26(31)14-8-7-13-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-10-3-2-4-11-21/h2-6,9-12,23,31H,7-8,13-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175955
(8-((cis, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-phe...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)/t22-,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175903
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175953
(1-(4-fluoro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H29F2N3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175951
(8-[(cis, rac)-2-(3-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C25H30ClN3O2/c26-20-8-6-7-19(17-20)25(31)12-5-4-11-22(25)28-15-13-24(14-16-28)23(30)27-18-29(24)21-9-2-1-3-10-21/h1-3,6-10,17,22,31H,4-5,11-16,18H2,(H,27,30)/t22-,25-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175945
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175956
(8-[(cis, rac)-2-(4-fluoro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H30FN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)/t22-,25-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175941
(8-((cis, rac)-2-hydroxy-2-pyridin-3-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)20-8-2-1-3-9-20)12-15-27(16-13-23)21-10-4-5-11-24(21,30)19-7-6-14-25-17-19/h1-3,6-9,14,17,21,30H,4-5,10-13,15-16,18H2,(H,26,29)/t21-,24-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175944
(8-((cis, rac)-2-hydroxy-2-p-tolyl-cyclohexyl)-1-ph...)Show SMILES Cc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O2/c1-20-10-12-21(13-11-20)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)22-7-3-2-4-8-22/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175947
(8-((cis, rac)-2-hydroxy-2-pyridin-4-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccncc1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)20-6-2-1-3-7-20)12-16-27(17-13-23)21-8-4-5-11-24(21,30)19-9-14-25-15-10-19/h1-3,6-7,9-10,14-15,21,30H,4-5,8,11-13,16-18H2,(H,26,29)/t21-,24-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175958
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)/t22-,25-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175942
(8-((cis, rac)-4-hydroxy-4-phenyl-tetrahydro-pyran-...)Show SMILES O[C@]1(CCOC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H29N3O3/c28-22-23(27(18-25-22)20-9-5-2-6-10-20)11-14-26(15-12-23)21-17-30-16-13-24(21,29)19-7-3-1-4-8-19/h1-10,21,29H,11-18H2,(H,25,28)/t21-,24-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175961
(8-((trans, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-p...)Show SMILES O[C@]1(CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)/t22-,25+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175946
(8-[(cis, rac)-2-(3,4-dichloro-phenyl)-2-hydroxy-cy...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H29Cl2N3O2/c26-20-10-9-18(16-21(20)27)25(32)11-5-4-8-22(25)29-14-12-24(13-15-29)23(31)28-17-30(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16,22,32H,4-5,8,11-15,17H2,(H,28,31)/t22-,25-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175950
(8-((cis, rac)-1-hydroxy-bicyclohexyl-2-yl)-1-pheny...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)C1CCCCC1 Show InChI InChI=1S/C25H37N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h2,5-6,11-12,20,22,30H,1,3-4,7-10,13-19H2,(H,26,29)/t22-,25-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175901
(8-((1S,2S)-2-phenyl-cyclohexyl)-1-propyl-1,3,8-tri...)Show SMILES CCCN1CNC(=O)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C22H33N3O/c1-2-14-25-17-23-21(26)22(25)12-15-24(16-13-22)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-5,8-9,19-20H,2,6-7,10-17H2,1H3,(H,23,26)/t19-,20-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175958
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)/t22-,25-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175954
(8-((cis, rac)-2-benzyl-2-hydroxy-cyclohexyl)-1-phe...)Show SMILES O[C@@]1(Cc2ccccc2)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O2/c30-24-25(29(20-27-24)22-11-5-2-6-12-22)15-17-28(18-16-25)23-13-7-8-14-26(23,31)19-21-9-3-1-4-10-21/h1-6,9-12,23,31H,7-8,13-20H2,(H,27,30)/t23-,26-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175942
(8-((cis, rac)-4-hydroxy-4-phenyl-tetrahydro-pyran-...)Show SMILES O[C@]1(CCOC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H29N3O3/c28-22-23(27(18-25-22)20-9-5-2-6-10-20)11-14-26(15-12-23)21-17-30-16-13-24(21,29)19-7-3-1-4-8-19/h1-10,21,29H,11-18H2,(H,25,28)/t21-,24-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 58 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175964
(8-((cis, rac)-2-hydroxy-2-methyl-cyclohexyl)-1-phe...)Show SMILES C[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C20H29N3O2/c1-19(25)10-6-5-9-17(19)22-13-11-20(12-14-22)18(24)21-15-23(20)16-7-3-2-4-8-16/h2-4,7-8,17,25H,5-6,9-15H2,1H3,(H,21,24)/t17-,19+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175962
(1-(4-chloro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-10-21(11-7-19)30-17-28-23(31)24(30)13-15-29(16-14-24)22-3-1-2-12-25(22,32)18-4-8-20(27)9-5-18/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175951
(8-[(cis, rac)-2-(3-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C25H30ClN3O2/c26-20-8-6-7-19(17-20)25(31)12-5-4-11-22(25)28-15-13-24(14-16-28)23(30)27-18-29(24)21-9-2-1-3-10-21/h1-3,6-10,17,22,31H,4-5,11-16,18H2,(H,27,30)/t22-,25-/m1/s1 | Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175949
(8-((cis, rac)-2-hydroxy-2-pyridin-2-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)19-8-2-1-3-9-19)13-16-27(17-14-23)21-11-4-6-12-24(21,30)20-10-5-7-15-25-20/h1-3,5,7-10,15,21,30H,4,6,11-14,16-18H2,(H,26,29)/t21-,24-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175952
(8-[(cis, rac)-2-hydroxy-2-(4-methoxy-phenyl)-cyclo...)Show SMILES COc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O3/c1-32-22-12-10-20(11-13-22)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-7-3-2-4-8-21/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175953
(1-(4-fluoro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H29F2N3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175961
(8-((trans, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-p...)Show SMILES O[C@]1(CCCC[C@@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)/t22-,25+/m0/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175945
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175956
(8-[(cis, rac)-2-(4-fluoro-phenyl)-2-hydroxy-cycloh...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H30FN3O2/c26-20-11-9-19(10-12-20)25(31)13-5-4-8-22(25)28-16-14-24(15-17-28)23(30)27-18-29(24)21-6-2-1-3-7-21/h1-3,6-7,9-12,22,31H,4-5,8,13-18H2,(H,27,30)/t22-,25-/m1/s1 | Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 5.70E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175963
(8-((cis, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-pro...)Show SMILES CCCN1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@]1(O)c1ccccc1 Show InChI InChI=1S/C22H33N3O2/c1-2-14-25-17-23-20(26)21(25)12-15-24(16-13-21)19-10-6-7-11-22(19,27)18-8-4-3-5-9-18/h3-5,8-9,19,27H,2,6-7,10-17H2,1H3,(H,23,26)/t19-,22-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175944
(8-((cis, rac)-2-hydroxy-2-p-tolyl-cyclohexyl)-1-ph...)Show SMILES Cc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O2/c1-20-10-12-21(13-11-20)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)22-7-3-2-4-8-22/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175952
(8-[(cis, rac)-2-hydroxy-2-(4-methoxy-phenyl)-cyclo...)Show SMILES COc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O3/c1-32-22-12-10-20(11-13-22)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-7-3-2-4-8-21/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 261 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175962
(1-(4-chloro-phenyl)-8-[(cis, rac)-2-(4-fluoro-phen...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C25H29ClFN3O2/c26-19-6-10-21(11-7-19)30-17-28-23(31)24(30)13-15-29(16-14-24)22-3-1-2-12-25(22,32)18-4-8-20(27)9-5-18/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175903
(1-Phenyl-8-((cis,1S,2S)-2-phenyl-cyclohexyl)-1,3,8...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175949
(8-((cis, rac)-2-hydroxy-2-pyridin-2-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)19-8-2-1-3-9-19)13-16-27(17-14-23)21-11-4-6-12-24(21,30)20-10-5-7-15-25-20/h1-3,5,7-10,15,21,30H,4,6,11-14,16-18H2,(H,26,29)/t21-,24-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175959
(8-[(cis, rac)-2-hydroxy-2-(3-methoxy-phenyl)-cyclo...)Show SMILES COc1cccc(c1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C26H33N3O3/c1-32-22-11-7-8-20(18-22)26(31)13-6-5-12-23(26)28-16-14-25(15-17-28)24(30)27-19-29(25)21-9-3-2-4-10-21/h2-4,7-11,18,23,31H,5-6,12-17,19H2,1H3,(H,27,30)/t23-,26-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175960
(8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cycloh...)Show SMILES COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H32ClN3O3/c1-33-22-11-9-21(10-12-22)30-18-28-24(31)25(30)14-16-29(17-15-25)23-4-2-3-13-26(23,32)19-5-7-20(27)8-6-19/h5-12,23,32H,2-4,13-18H2,1H3,(H,28,31)/t23-,26-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175943
(8-((cis, rac)-3-hydroxy-3-phenyl-tetrahydro-pyran-...)Show SMILES O[C@]1(COCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H29N3O3/c28-22-23(27(18-25-22)20-9-5-2-6-10-20)12-14-26(15-13-23)21-11-16-30-17-24(21,29)19-7-3-1-4-8-19/h1-10,21,29H,11-18H2,(H,25,28)/t21-,24-/m1/s1 | Reactome pathway
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| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175957
(8-((cis, rac)-2-hydroxy-2-isopropyl-cyclohexyl)-1-...)Show SMILES CC(C)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C22H33N3O2/c1-17(2)22(27)11-7-6-10-19(22)24-14-12-21(13-15-24)20(26)23-16-25(21)18-8-4-3-5-9-18/h3-5,8-9,17,19,27H,6-7,10-16H2,1-2H3,(H,23,26)/t19-,22-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175920
(1-phenyl-8-((trans, rac)-2-phenyl-cyclohexyl)-1,3,...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50175955
(8-((cis, rac)-2-hydroxy-2-phenyl-cyclohexyl)-1-phe...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)/t22-,25-/m1/s1 | Reactome pathway
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| n/a | n/a | n/a | n/a | 7.20E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT2 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175948
(8-((cis, rac)-2-tert-butyl-2-hydroxy-cyclohexyl)-1...)Show SMILES CC(C)(C)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H35N3O2/c1-21(2,3)23(28)12-8-7-11-19(23)25-15-13-22(14-16-25)20(27)24-17-26(22)18-9-5-4-6-10-18/h4-6,9-10,19,28H,7-8,11-17H2,1-3H3,(H,24,27)/t19-,23+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175947
(8-((cis, rac)-2-hydroxy-2-pyridin-4-yl-cyclohexyl)...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccncc1 Show InChI InChI=1S/C24H30N4O2/c29-22-23(28(18-26-22)20-6-2-1-3-7-20)12-16-27(17-13-23)21-8-4-5-11-24(21,30)19-9-14-25-15-10-19/h1-3,6-7,9-10,14-15,21,30H,4-5,8,11-13,16-18H2,(H,26,29)/t21-,24-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 62 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50175946
(8-[(cis, rac)-2-(3,4-dichloro-phenyl)-2-hydroxy-cy...)Show SMILES O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H29Cl2N3O2/c26-20-10-9-18(16-21(20)27)25(32)11-5-4-8-22(25)29-14-12-24(13-15-29)23(31)28-17-30(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16,22,32H,4-5,8,11-15,17H2,(H,28,31)/t22-,25-/m1/s1 | PDB
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 173 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]glycine from human GlyT1 by radiometric assay |
Bioorg Med Chem Lett 16: 354-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.067
BindingDB Entry DOI: 10.7270/Q2P26XPX |
More data for this
Ligand-Target Pair | |
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